SCHEMBL22815682

SCHEMBL22815682

COc1ccc(Cn2nnc(C(=O)O)c2Oc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.47
TP53 P04637 1/20 0.46
AKR1C2 P52895 2/20 0.44
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCAR3 P49019 1/20 0.42
CHRM5 P08912 3/20 0.42
PPARG P37231 1/20 0.42
MAPT P10636 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22816232 0.91 TP53 (0.49) AKR1C3TP53AKR1C2ALOX15L3MBTL1
SCHEMBL28047000 0.91 AKR1C3 (0.55) AKR1C3AKR1C2ALOX15L3MBTL1POLB
SCHEMBL18241057 0.90 CYP19A1 (0.45) AKR1C3TP53AKR1C2ALOX15L3MBTL1
SCHEMBL22816144 0.89 TP53 (0.43) AKR1C3TP53AKR1C2ALOX15L3MBTL1
SCHEMBL22816581 0.88 TP53 (0.47) AKR1C3TP53ALOX15L3MBTL1POLB
SCHEMBL22816200 0.87 POLB (0.42) AKR1C3TP53AKR1C2ALOX15L3MBTL1
SCHEMBL22816662 0.85 MARS1 (0.43) AKR1C3TP53ALOX15L3MBTL1POLB
SCHEMBL21296984 0.85 AKR1C3 (0.49) AKR1C3ALOX15L3MBTL1POLBMEN1
SCHEMBL22816841 0.84 AKR1C3 (0.48) AKR1C3TP53AKR1C2ALOX15L3MBTL1
SCHEMBL22816536 0.83 AKR1C3 (0.47) AKR1C3ALOX15L3MBTL1POLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed